318517-72-5
Product Name:
5-(BENZYLAMINO)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBONITRILE
Formula:
C13H11F3N4
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COMPUTED DESCRIPTORS
| Molecular Weight | 280.25 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 280.09358085 g/mol |
| Monoisotopic Mass | 280.09358085 g/mol |
| Topological Polar Surface Area | 53.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 370 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |